1-cyclopropyl-2-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine

C12H16Cl2N2 — CID 63354877

IUPAC1-cyclopropyl-2-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine
SMILESCCNC(Cc1ncc(Cl)cc1Cl)C1CC1
InChIInChI=1S/C12H16Cl2N2/c1-2-15-11(8-3-4-8)6-12-10(14)5-9(13)7-16-12/h5,7-8,11,15H,2-4,6H2,1H3
InChIKeyDUGWIZUXCCWXHK-UHFFFAOYSA-N
MW259.18 g/mol
LogP3.32
Rot. Bonds5

About 1-cyclopropyl-2-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine

1-cyclopropyl-2-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine (PubChem CID 63354877) has the molecular formula C12H16Cl2N2 and a molecular weight of 259.18 g/mol. Its IUPAC name is 1-cyclopropyl-2-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-cyclopropyl-2-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine
PubChem CID63354877
Molecular FormulaC12H16Cl2N2
Molecular Weight259.18 g/mol
Exact Mass258.07
IUPAC Name1-cyclopropyl-2-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine
SMILESCCNC(Cc1ncc(Cl)cc1Cl)C1CC1
InChIInChI=1S/C12H16Cl2N2/c1-2-15-11(8-3-4-8)6-12-10(14)5-9(13)7-16-12/h5,7-8,11,15H,2-4,6H2,1H3
InChIKeyDUGWIZUXCCWXHK-UHFFFAOYSA-N
XLogP3.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-2-cyclopropylethyl)-3,5-dichloropyridine
CID 63353675
1-(3,5-dichloro-2-pyridinyl)-N-ethyl-3,3-dimethylbutan-2-amine
CID 55162001
1-cycloheptyl-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 65398954
1-(3,5-dichloro-2-pyridinyl)-3-methyl-N-propylbutan-2-amine
CID 63202230
1-cyclopropyl-N-ethyl-2-pyridin-4-ylethanamine
CID 63355352
1-cyclopropyl-N-ethyl-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)ethanamine
CID 63355576
1-cyclopentyl-N-ethyl-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
CID 62601412
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(4-ethylcyclohexyl)ethanamine
CID 103040129
1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine
CID 79780970
3-cyclopropyl-1-(3,5-dichloro-2-pyridinyl)-N-ethylpropan-1-amine
CID 79780406
3-(4-chloro-1-ethylpyrazol-5-yl)-1-cyclopropyl-N-ethylpropan-1-amine
CID 114664344
1-cyclohexyl-N-ethyl-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
CID 62601994

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine?
The IUPAC name of 1-cyclopropyl-2-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine (CID 63354877) is 1-cyclopropyl-2-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine.
What is the SMILES notation for 1-cyclopropyl-2-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine?
The canonical SMILES for 1-cyclopropyl-2-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine is CCNC(Cc1ncc(Cl)cc1Cl)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine?
The InChIKey is DUGWIZUXCCWXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2/c1-2-15-11(8-3-4-8)6-12-10(14)5-9(13)7-16-12/h5,7-8,11,15H,2-4,6H2,1H3.
What are the key properties of 1-cyclopropyl-2-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine?
1-cyclopropyl-2-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine has a molecular weight of 259.18 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine is sourced from PubChem (CID 63354877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).